N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide

C21H23N3O3S — CID 51728621

IUPACN-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15(25)22-18-8-10-19(11-9-18)28(26,27)24-12-4-6-17(14-24)21-13-16-5-2-3-7-20(16)23-21/h2-3,5,7-11,13,17,23H,4,6,12,14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyODPORAAOEZVTCU-QGZVFWFLSA-N
MW397.50 g/mol
LogP3.69
Rot. Bonds4

About N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 51728621) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID51728621
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15(25)22-18-8-10-19(11-9-18)28(26,27)24-12-4-6-17(14-24)21-13-16-5-2-3-7-20(16)23-21/h2-3,5,7-11,13,17,23H,4,6,12,14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyODPORAAOEZVTCU-QGZVFWFLSA-N
XLogP3.69
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
CID 113088701
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
CID 113088602
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 42581450
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001
N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 110236459
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 51728621) is N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is ODPORAAOEZVTCU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15(25)22-18-8-10-19(11-9-18)28(26,27)24-12-4-6-17(14-24)21-13-16-5-2-3-7-20(16)23-21/h2-3,5,7-11,13,17,23H,4,6,12,14H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 51728621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).